4-[4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(2-pyrazinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-(4-pyrazin-2-ylpiperazino)butyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=NC=CN=C4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=NC=CN=C4

InChI

InChI=1S/C21H25N5O3/c27-20-16-29-18-6-2-1-5-17(18)21(28)26(20)10-4-3-9-24-11-13-25(14-12-24)19-15-22-7-8-23-19/h1-2,5-8,15H,3-4,9-14,16H2